1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one

C25H25N3O6 — CID 88950364

IUPAC1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
SMILESCOc1cc(C(CC(=O)N2CCC=CC2=O)c2c[nH]c3ccc(N=O)cc23)cc(OC)c1OC
InChIInChI=1S/C25H25N3O6/c1-32-21-10-15(11-22(33-2)25(21)34-3)17(13-24(30)28-9-5-4-6-23(28)29)19-14-26-20-8-7-16(27-31)12-18(19)20/h4,6-8,10-12,14,17,26H,5,9,13H2,1-3H3
InChIKeySZHMJGDOOILOMN-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.43
Rot. Bonds8

About 1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one

1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one (PubChem CID 88950364) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is 1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
PubChem CID88950364
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
SMILESCOc1cc(C(CC(=O)N2CCC=CC2=O)c2c[nH]c3ccc(N=O)cc23)cc(OC)c1OC
InChIInChI=1S/C25H25N3O6/c1-32-21-10-15(11-22(33-2)25(21)34-3)17(13-24(30)28-9-5-4-6-23(28)29)19-14-26-20-8-7-16(27-31)12-18(19)20/h4,6-8,10-12,14,17,26H,5,9,13H2,1-3H3
InChIKeySZHMJGDOOILOMN-UHFFFAOYSA-N
XLogP4.43
TPSA110.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-fluoro-1H-indol-3-yl)-1-(6-hydroxy-3,6-dihydro-2H-pyridin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 67448077
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 83285417
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(3S)-3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
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CID 83282119
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 42802265
1-[(E)-3-(4-ethoxy-3-methoxy-5-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
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3-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one (CID 88950364) is 1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one is COc1cc(C(CC(=O)N2CCC=CC2=O)c2c[nH]c3ccc(N=O)cc23)cc(OC)c1OC.
What is the InChIKey of 1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
The InChIKey is SZHMJGDOOILOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-32-21-10-15(11-22(33-2)25(21)34-3)17(13-24(30)28-9-5-4-6-23(28)29)19-14-26-20-8-7-16(27-31)12-18(19)20/h4,6-8,10-12,14,17,26H,5,9,13H2,1-3H3.
What are the key properties of 1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one?
1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one has a molecular weight of 463.49 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-nitroso-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 88950364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).